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1693645-48-5 | 2-butanoyl-4-methyl-1,3-thiazole-5-sulfonyl chloride
CAS No: 1693645-48-5 Catalog No: AG01BH77 MDL No:MFCD28139540
Product Description
Catalog Number:
AG01BH77
Chemical Name:
2-butanoyl-4-methyl-1,3-thiazole-5-sulfonyl chloride
CAS Number:
1693645-48-5
Molecular Formula:
C8H10ClNO3S2
Molecular Weight:
267.7529
MDL Number:
MFCD28139540
IUPAC Name:
2-butanoyl-4-methyl-1,3-thiazole-5-sulfonyl chloride
InChI:
InChI=1S/C8H10ClNO3S2/c1-3-4-6(11)7-10-5(2)8(14-7)15(9,12)13/h3-4H2,1-2H3
InChI Key:
HIIQQOCDDDGIAG-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1nc(c(s1)S(=O)(=O)Cl)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.979g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.742g/mol
Monoisotopic Mass:
266.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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